3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide

C15H19N3OS — CID 63210151

IUPAC3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2ncc(C)s2)cc1C
InChIInChI=1S/C15H19N3OS/c1-4-7-16-13-6-5-12(8-10(13)2)14(19)18-15-17-9-11(3)20-15/h5-6,8-9,16H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyLOQOWOGDHLRDEK-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.83
Rot. Bonds5

About 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide

3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide (PubChem CID 63210151) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide
PubChem CID63210151
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2ncc(C)s2)cc1C
InChIInChI=1S/C15H19N3OS/c1-4-7-16-13-6-5-12(8-10(13)2)14(19)18-15-17-9-11(3)20-15/h5-6,8-9,16H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyLOQOWOGDHLRDEK-UHFFFAOYSA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63210150
4-hydrazinyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63211746
N-(5-methyl-1,3-thiazol-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 55042843
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
CID 63210683
4-(ethylamino)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 62165674
3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide
CID 63210058
N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide
CID 17484062
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47366046
3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide
CID 63214108
3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61090016

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide?
The IUPAC name of 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide (CID 63210151) is 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide?
The canonical SMILES for 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)Nc2ncc(C)s2)cc1C.
What is the InChIKey of 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide?
The InChIKey is LOQOWOGDHLRDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-7-16-13-6-5-12(8-10(13)2)14(19)18-15-17-9-11(3)20-15/h5-6,8-9,16H,4,7H2,1-3H3,(H,17,18,19).
What are the key properties of 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide?
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide has a molecular weight of 289.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide is sourced from PubChem (CID 63210151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).